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2H-Thiopyran-2-carboxylic acid, tetrahydro-3-oxo-, ethyl ester
SpectraBase Compound ID 84EGz1tMkPy
InChI InChI=1S/C8H12O3S/c1-2-11-8(10)7-6(9)4-3-5-12-7/h7H,2-5H2,1H3
InChIKey VCOKLWJRNMSWPY-UHFFFAOYSA-N
Mol Weight 188.24 g/mol
Molecular Formula C8H12O3S
Exact Mass 188.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gKoWIhqqlx
Name 2H-Thiopyran-2-carboxylic acid, tetrahydro-3-oxo-, ethyl ester
Alternate Name(s) 3-ketotetrahydrothiopyran-2-carboxylic acid ethyl ester 3-Oxo-2-thianecarboxylic acid ethyl ester Ethyl 3-oxidanylidenethiane-2-carboxylate Ethyl 3-oxotetrahydro-2H-thiopyran-2-carboxylate Ethyl 3-oxotetrahydrothiopyran-2-carboxylate Ethyl 3-oxothiane-2-carboxylate
CAS Registry Number 58509-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3S
InChI InChI=1S/C8H12O3S/c1-2-11-8(10)7-6(9)4-3-5-12-7/h7H,2-5H2,1H3
InChIKey VCOKLWJRNMSWPY-UHFFFAOYSA-N
Molecular Weight 188.241 g/mol
SMILES C1(C(=O)OCC)C(=O)CCCS1
SPLASH splash10-000f-3900000000-a8235f9ce055f3522256
Source of Spectrum F-46-6510-3
Wiley ID 1184231